N-(3-hydroxypropyl)-1-prop-2-enoylpiperidine-4-carboxamide

C12H20N2O3 — CID 54875832

IUPACN-(3-hydroxypropyl)-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)NCCCO)CC1
InChIInChI=1S/C12H20N2O3/c1-2-11(16)14-7-4-10(5-8-14)12(17)13-6-3-9-15/h2,10,15H,1,3-9H2,(H,13,17)
InChIKeyVSKDNTKXRMSRFI-UHFFFAOYSA-N
MW240.30 g/mol
LogP-0.09
Rot. Bonds5

About N-(3-hydroxypropyl)-1-prop-2-enoylpiperidine-4-carboxamide

N-(3-hydroxypropyl)-1-prop-2-enoylpiperidine-4-carboxamide (PubChem CID 54875832) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-1-prop-2-enoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-1-prop-2-enoylpiperidine-4-carboxamide
PubChem CID54875832
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC NameN-(3-hydroxypropyl)-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)NCCCO)CC1
InChIInChI=1S/C12H20N2O3/c1-2-11(16)14-7-4-10(5-8-14)12(17)13-6-3-9-15/h2,10,15H,1,3-9H2,(H,13,17)
InChIKeyVSKDNTKXRMSRFI-UHFFFAOYSA-N
XLogP-0.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-1-prop-2-enoylpiperidine-4-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-1-prop-2-enoylpiperidine-4-carboxamide (CID 54875832) is N-(3-hydroxypropyl)-1-prop-2-enoylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-1-prop-2-enoylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-1-prop-2-enoylpiperidine-4-carboxamide is C=CC(=O)N1CCC(C(=O)NCCCO)CC1.
What is the InChIKey of N-(3-hydroxypropyl)-1-prop-2-enoylpiperidine-4-carboxamide?
The InChIKey is VSKDNTKXRMSRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-11(16)14-7-4-10(5-8-14)12(17)13-6-3-9-15/h2,10,15H,1,3-9H2,(H,13,17).
What are the key properties of N-(3-hydroxypropyl)-1-prop-2-enoylpiperidine-4-carboxamide?
N-(3-hydroxypropyl)-1-prop-2-enoylpiperidine-4-carboxamide has a molecular weight of 240.30 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-1-prop-2-enoylpiperidine-4-carboxamide is sourced from PubChem (CID 54875832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).